UCSF

ZINC58591241

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.22 -0.51 -108.27 9 9 2 159 326.401 9
Hi High (pH 8-9.5) -1.22 -2.23 -15.55 7 9 0 156 324.385 9
Mid Mid (pH 6-8) -1.22 -0.97 -52.96 8 9 1 158 325.393 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )